3-(1,3-benzodioxol-5-yl)-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide

C18H15N3O4 — CID 155917308

IUPAC3-(1,3-benzodioxol-5-yl)-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide
SMILESO=C(CCc1ccc2c(c1)OCO2)Nc1cnc2ccccn2c1=O
InChIInChI=1S/C18H15N3O4/c22-17(7-5-12-4-6-14-15(9-12)25-11-24-14)20-13-10-19-16-3-1-2-8-21(16)18(13)23/h1-4,6,8-10H,5,7,11H2,(H,20,22)
InChIKeyRWPANCIFLKOWGG-UHFFFAOYSA-N
MW337.34 g/mol
LogP1.99
Rot. Bonds4

About 3-(1,3-benzodioxol-5-yl)-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide

3-(1,3-benzodioxol-5-yl)-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide (PubChem CID 155917308) has the molecular formula C18H15N3O4 and a molecular weight of 337.34 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide
PubChem CID155917308
Molecular FormulaC18H15N3O4
Molecular Weight337.34 g/mol
Exact Mass337.11
IUPAC Name3-(1,3-benzodioxol-5-yl)-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide
SMILESO=C(CCc1ccc2c(c1)OCO2)Nc1cnc2ccccn2c1=O
InChIInChI=1S/C18H15N3O4/c22-17(7-5-12-4-6-14-15(9-12)25-11-24-14)20-13-10-19-16-3-1-2-8-21(16)18(13)23/h1-4,6,8-10H,5,7,11H2,(H,20,22)
InChIKeyRWPANCIFLKOWGG-UHFFFAOYSA-N
XLogP1.99
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-oxo-4-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)amino]butanoic acid
CID 44782792
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 86920638
2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N-(2-phenylethyl)benzamide
CID 16574742
N-[2-[3-(1,3-benzodioxol-5-yl)propanoylamino]phenyl]-4-chlorobenzamide
CID 31967410
3-(1,3-benzodioxol-5-yl)-N-[2-(4-ethylpiperazin-1-yl)phenyl]propanamide
CID 18121767
3-(1,3-benzodioxol-5-yl)-N-(2,4-dibromophenyl)propanamide
CID 16574686
3-(1,3-benzodioxol-5-yl)-N-(2,3,4-trifluorophenyl)propanamide
CID 16574669
3-(1,3-benzodioxol-5-yl)-N-(2,6-diethylphenyl)propanamide
CID 16574716
N-(1,3-benzodioxol-5-ylmethyl)-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 135681052
3-(1,3-benzodioxol-5-yl)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]propanamide
CID 56506794
3-(1,3-benzodioxol-5-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 30186764
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-pyridin-3-ylpropanamide
CID 18117902

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide (CID 155917308) is 3-(1,3-benzodioxol-5-yl)-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide is O=C(CCc1ccc2c(c1)OCO2)Nc1cnc2ccccn2c1=O.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide?
The InChIKey is RWPANCIFLKOWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4/c22-17(7-5-12-4-6-14-15(9-12)25-11-24-14)20-13-10-19-16-3-1-2-8-21(16)18(13)23/h1-4,6,8-10H,5,7,11H2,(H,20,22).
What are the key properties of 3-(1,3-benzodioxol-5-yl)-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide?
3-(1,3-benzodioxol-5-yl)-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide has a molecular weight of 337.34 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)propanamide is sourced from PubChem (CID 155917308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).